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Title: Final Report for Integrated Multiscale Modeling of Molecular Computing Devices

In collaboration with researchers at Vanderbilt University, North Carolina State University, Princeton and Oakridge National Laboratory we developed multiscale modeling and simulation methods capable of modeling the synthesis, assembly, and operation of molecular electronics devices. Our role in this project included the development of coarse-grained molecular and mesoscale models and simulation methods capable of simulating the assembly of millions of organic conducting molecules and other molecular components into nanowires, crossbars, and other organized patterns.
Publication Date:
OSTI Identifier:
Report Number(s):
DOE Contract Number:
Resource Type:
Technical Report
Research Org:
University of Michigan
Sponsoring Org:
Contributing Orgs:
Funded jointly with Participating Institutions and Primary Institutional Contacts: Oak Ridge National Laboratory: Robert Harrison Vanderbilt University: Peter Cummings North Carolina State University: Jerry Bernholc University of Colorado: Greg Beylkin Princeton University: Weinan E University of Tennessee: Timothy Schulze
Country of Publication:
United States
36 MATERIALS SCIENCE self-assembly, Nanotetrapods, computational modeling